nathaniel-mahieu/warpgroup: Advanced Alignment, Grouping, and Consensus Peak Bounding of LC/MS Data

The warpgroup algorithm takes detected peaks appearing across multiple LC/MS samples and determines: 1. The most appropriate segregation of those peaks using a local DTW alignment and graph decomposition; 2. Per-group consensus integration bounds such that each group represents a topographically similar region of the peak chromatogram; 3. The corresponding peak integration bounds for samples in which no peak was detected. Additionally the output provides effective parameters for filtering "good peaks" from "noise peaks".

install.packages("devtools")
library(devtools)
install_github("nathaniel-mahieu/warpgroup")